Crystallography Open Database

Information card for entry 7234627

Preview

Coordinates	7234627.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H6 F2 N2
Calculated formula	C12 H6 F2 N2
SMILES	N#Cc1nc(ccc1)c1c(F)cc(F)cc1
Title of publication	Colour-tunable asymmetric cyclometalated Pt(ii) complexes and STM-assisted stability assessment of ancillary ligands for OLEDs
Authors of publication	Jan Sanning; Linda Stegemann; Pascal R. Ewen; Christian Schwermann; Constantin G. Daniliuc; Dongdong Zhang; Na Lin; Lian Duan; Daniel Wegner; Nikos L. Doltsinis; Cristian A. Strassert
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	2560 - 2565
a	24.0158 ± 0.001 Å
b	3.6946 ± 0.0001 Å
c	24.1833 ± 0.0008 Å
α	90°
β	117.592 ± 0.001°
γ	90°
Cell volume	1901.71 ± 0.11 Å³
Cell temperature	101 ± 2 K
Ambient diffraction temperature	101 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0507
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0816
Weighted residual factors for all reflections included in the refinement	0.088
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219358 (current)	2019-10-15	cif/ Adding structures of 7234625, 7234626, 7234627 via cif-deposit CGI script.	7234627.cif